CID 19994210

3-(4-chloro-3-nitrophenyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C9H7ClN2O4
SMILES
C1COC(=O)N1C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H7ClN2O4/c10-7-2-1-6(5-8(7)12(14)15)11-3-4-16-9(11)13/h1-2,5H,3-4H2
InChIKey
OIVANVCNWCWJLD-UHFFFAOYSA-N
Compound name
3-(4-chloro-3-nitrophenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.00943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01671 149.4
[M+Na]+ 264.99865 157.6
[M-H]- 241.00215 155.6
[M+NH4]+ 260.04325 165.8
[M+K]+ 280.97259 151.4
[M+H-H2O]+ 225.00669 147.7
[M+HCOO]- 287.00763 167.9
[M+CH3COO]- 301.02328 182.1
[M+Na-2H]- 262.98410 155.1
[M]+ 242.00888 149.6
[M]- 242.00998 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe